SCHEMBL24197045

SCHEMBL24197045

CCOP(=O)(/C=C/[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)OCC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.44
▸ TAS1R1 Q7RTX1 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ IMPDH2 P12268 6/20 0.35
▸ IMPDH1 P20839 2/20 0.35
▸ STING1 Q86WV6 1/20 0.34
▸ KRAS P01116 2/20 0.33
▸ HINT1 P49773 1/20 0.33
▸ NT5E P21589 1/20 0.33
▸ TGM2 P21980 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26347601 1.00 TAS1R3 (0.44) TAS1R3TAS1R1KDM4EALDH1A1MEN1
SCHEMBL24181917 0.87 KDM4E (0.53) TAS1R3TAS1R1KDM4EALDH1A1MEN1
SCHEMBL3316465 0.87 TAS1R3 (0.55) TAS1R3TAS1R1KDM4EIMPDH2IMPDH1
SCHEMBL3316463 0.87 TAS1R3 (0.55) TAS1R3TAS1R1KDM4EIMPDH2IMPDH1
SCHEMBL24181916 0.87 KDM4E (0.47) TAS1R3TAS1R1KDM4EALDH1A1MEN1
SCHEMBL26347593 0.87 KDM4E (0.47) TAS1R3TAS1R1KDM4EALDH1A1MEN1
SCHEMBL3317478 0.84 TAS1R3 (0.45) TAS1R3TAS1R1KDM4EALDH1A1MEN1
SCHEMBL3317477 0.84 TAS1R3 (0.45) TAS1R3TAS1R1KDM4EALDH1A1MEN1
SCHEMBL29884003 0.83 KDM4E (0.46) TAS1R3TAS1R1KDM4EALDH1A1MEN1
SCHEMBL24181915 0.82 KDM4E (0.56) TAS1R3TAS1R1KDM4EALDH1A1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3936514-B1 3'3' CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE INST OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR V V I (CZ) 2023-05-24 — — EP disclosed
WO-2022007986-A1 3'3' CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR, V. V. I. (CZ) 2022-01-13 — — WO disclosed
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